4-ethoxy-4-methoxypent-1-ene

C8H16O2 — CID 150119013

IUPAC4-ethoxy-4-methoxypent-1-ene
SMILESC=CCC(C)(OC)OCC
InChIInChI=1S/C8H16O2/c1-5-7-8(3,9-4)10-6-2/h5H,1,6-7H2,2-4H3
InChIKeyDYVQFTCVRJJSHA-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.96
Rot. Bonds5

About 4-ethoxy-4-methoxypent-1-ene

4-ethoxy-4-methoxypent-1-ene (PubChem CID 150119013) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-ethoxy-4-methoxypent-1-ene.

Molecular Properties

Compound Name4-ethoxy-4-methoxypent-1-ene
PubChem CID150119013
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-ethoxy-4-methoxypent-1-ene
SMILESC=CCC(C)(OC)OCC
InChIInChI=1S/C8H16O2/c1-5-7-8(3,9-4)10-6-2/h5H,1,6-7H2,2-4H3
InChIKeyDYVQFTCVRJJSHA-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,5,5-tetraethoxyhexane
CID 42611383
4-methoxy-4-prop-2-enylhepta-1,6-diene
CID 164754119
4,4-diethoxytridec-1-ene
CID 150818454
2-ethenoxy-1,2-diethoxypropane
CID 173023093
2,2-diethoxy-1-methoxypropane
CID 168868590
1,1-diethoxybut-3-enyl-ethoxy-dimethylazanium chloride
CID 87526798
(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
CID 59039373
bis(buta-1,3-diene);butane;ethane;tetrakis(2-methoxy-2-methylpropanedial)
CID 162283940
1-ethoxy-2-methylpent-4-en-2-ol
CID 71384768
3,3-diethoxy-1,1-dimethoxybutane
CID 57235388
2,2-diethoxynonane
CID 89439020
1,1-dimethoxybut-3-enoxysilane
CID 172998295

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-methoxypent-1-ene?
The IUPAC name of 4-ethoxy-4-methoxypent-1-ene (CID 150119013) is 4-ethoxy-4-methoxypent-1-ene.
What is the SMILES notation for 4-ethoxy-4-methoxypent-1-ene?
The canonical SMILES for 4-ethoxy-4-methoxypent-1-ene is C=CCC(C)(OC)OCC.
What is the InChIKey of 4-ethoxy-4-methoxypent-1-ene?
The InChIKey is DYVQFTCVRJJSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-7-8(3,9-4)10-6-2/h5H,1,6-7H2,2-4H3.
What are the key properties of 4-ethoxy-4-methoxypent-1-ene?
4-ethoxy-4-methoxypent-1-ene has a molecular weight of 144.21 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-methoxypent-1-ene is sourced from PubChem (CID 150119013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).